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2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid , CAS No.1195941-38-8, Antagonist of LPA 1 receptor

Name: 2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid , CAS No.1195941-38-8, Antagonist of LPA 1 receptor
Price: 59.9 USD
Availability: InStock

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1195941-38-8
Molecular Weight: 445.51
PubChem CID: 44481866

In stock

Item Number

M613410

Grouped product items
SKU	Size	Availability	Price
M613410-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
M613410-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
M613410-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
M613410-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$789.90
M613410-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,265.90

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LPA1 receptor Antagonist (18)

Synonyms	AKOS030525390 \| GTPL11315 \| HY-100185 \| SCHEMBL1560214 \| AKOS009158429 \| 2-(4-methoxy-3-(2-m-tolyl-ethoxy)benzoylamino)indane-2-carboxylic acid \| CZN001 \| CZN-001 \| FIPAXALPARANT [INN] \| 2-(4-Methoxy-3-(2-m-tolyl-ethoxy)-benzoylamino)-indan-2-carboxylic a
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of LPA 1 receptor
Product Description	Edg-2 receptor inhibitor 1 (SAR-100842) is an Edg-2 receptor inhibitor extracted (IC50: <0.1 μM). in vitro activity： Edg-2 receptor inhibitor 1 is an inhibitor of endothelial differentiation gene receptor 2 ( Edg-2, EDG2 ), which is activated by lysophosphatidic acid ( LPA ) and is also known as LPA1 receptor. This compound can be used for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure. This product is only suitable for scientific research .

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids Indanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Indane - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
INCHI	InChI=1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)
InChIKey	SOJDTNUCCXWTMG-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
Isomeric SMILES	CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
PubChem CID	44481866
Molecular Weight	445.51

Solubility	DMSO
Molecular Weight	445.500 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	445.189 Da
Monoisotopic Mass	445.189 Da
Topological Polar Surface Area	84.900 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	667.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid , CAS No.1195941-38-8, Antagonist of LPA 1 receptor

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